2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C17H14BrN3O2 — CID 4888816

IUPAC2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C)C(c1cccc(Br)c1)C(C#N)=C(N)O2
InChIInChI=1S/C17H14BrN3O2/c1-9-6-13-15(17(22)21(9)2)14(12(8-19)16(20)23-13)10-4-3-5-11(18)7-10/h3-7,14H,20H2,1-2H3
InChIKeyHAPFDQXKNWJAFE-UHFFFAOYSA-N
MW372.22 g/mol
LogP2.67
Rot. Bonds1

About 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 4888816) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID4888816
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C)C(c1cccc(Br)c1)C(C#N)=C(N)O2
InChIInChI=1S/C17H14BrN3O2/c1-9-6-13-15(17(22)21(9)2)14(12(8-19)16(20)23-13)10-4-3-5-11(18)7-10/h3-7,14H,20H2,1-2H3
InChIKeyHAPFDQXKNWJAFE-UHFFFAOYSA-N
XLogP2.67
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 4888816) is 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1C)C(c1cccc(Br)c1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is HAPFDQXKNWJAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-9-6-13-15(17(22)21(9)2)14(12(8-19)16(20)23-13)10-4-3-5-11(18)7-10/h3-7,14H,20H2,1-2H3.
What are the key properties of 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 372.22 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 4888816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).